N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide

C23H30N4O7S — CID 25044215

IUPACN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)N3CCN(C(=O)c4ccco4)CC3)CCNCC2)cc1OC
InChIInChI=1S/C23H30N4O7S/c1-32-18-6-5-17(16-20(18)33-2)35(30,31)25-23(7-9-24-10-8-23)22(29)27-13-11-26(12-14-27)21(28)19-4-3-15-34-19/h3-6,15-16,24-25H,7-14H2,1-2H3
InChIKeyZKHAZHVHAZWFLD-UHFFFAOYSA-N
MW506.58 g/mol
LogP0.68
Rot. Bonds7

About N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide

N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 25044215) has the molecular formula C23H30N4O7S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID25044215
Molecular FormulaC23H30N4O7S
Molecular Weight506.58 g/mol
Exact Mass506.18
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)N3CCN(C(=O)c4ccco4)CC3)CCNCC2)cc1OC
InChIInChI=1S/C23H30N4O7S/c1-32-18-6-5-17(16-20(18)33-2)35(30,31)25-23(7-9-24-10-8-23)22(29)27-13-11-26(12-14-27)21(28)19-4-3-15-34-19/h3-6,15-16,24-25H,7-14H2,1-2H3
InChIKeyZKHAZHVHAZWFLD-UHFFFAOYSA-N
XLogP0.68
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
CID 23734408
1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110801888
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 56722979
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120917356
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
furan-2-yl-[4-(2-methoxy-4,6-dimethylbenzoyl)piperazin-1-yl]methanone
CID 110764965
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110807734
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide (CID 25044215) is N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2(C(=O)N3CCN(C(=O)c4ccco4)CC3)CCNCC2)cc1OC.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is ZKHAZHVHAZWFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O7S/c1-32-18-6-5-17(16-20(18)33-2)35(30,31)25-23(7-9-24-10-8-23)22(29)27-13-11-26(12-14-27)21(28)19-4-3-15-34-19/h3-6,15-16,24-25H,7-14H2,1-2H3.
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide?
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 506.58 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 25044215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).